ML Anthology

Wang, Wujie

5 publications

TMLR 2023 Forces Are Not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations Xiang Fu, Zhenghao Wu, Wujie Wang, Tian Xie, Sinan Keten, Rafael Gomez-Bombarelli, Tommi Jaakkola
NeurIPSW 2022 Forces Are Not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations Xiang Fu, Zhenghao Wu, Wujie Wang, Tian Xie, Sinan Keten, Rafael Gomez-Bombarelli, Tommi S. Jaakkola
ICML 2022 Generative Coarse-Graining of Molecular Conformations Wujie Wang, Minkai Xu, Chen Cai, Benjamin K Miller, Tess Smidt, Yusu Wang, Jian Tang, Rafael Gomez-Bombarelli
ICML 2021 An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming Minkai Xu, Wujie Wang, Shitong Luo, Chence Shi, Yoshua Bengio, Rafael Gomez-Bombarelli, Jian Tang
ICLRW 2020 Differentiable Molecular Simulations for Control and Learning Wujie Wang, Simon Axelrod, Rafael Gómez-Bombarelli